N2O2 as strong dimer? bent NEDA 0 1 0 2 0 -2 Total Interaction (E) : 4.520 Wiberg NN bond index 1.0072 NN stretch 2604 cm-1
DOI: 10.14469/hpc/15468 Metadata
Created: 2025-08-14 07:07
Last modified: 2025-08-16 16:28
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| N2O2.gjf | 444 | chemical/x-gaussian-input | Gaussian input file |
| N2O2.log | 293KB | chemical/x-gaussian-log | Gaussian log file |
| N2O2.fchk | 843KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 645 | chemical/x-cml | Optimised geometry |
| Rawbinaryarray.baf | 8MB | chemical/x-rawbinaryarray | Raw Binary Array File |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/15480 | The even more mysterious N≡N triple bond in nitric oxide dimer. |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/N2O2/c3-1-2-4 |
| inchikey | AZLYZRGJCVQKKK-UHFFFAOYSA-N |